IBS-ZINC05025563 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -4.5180 8.0300 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 7.1350 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8200 6.6660 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 5.4380 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 5.9180 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 5.9440 -0.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 6.7290 0.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 5.0780 -2.1440 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 3.5340 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 2.4200 -1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 2.2760 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 2.9220 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.7250 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 1.8770 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.2260 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 1.4230 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 1.7670 -0.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.9100 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 0.9500 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -0.1380 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -0.0880 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 1.0490 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 2.1410 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 2.0930 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 1.0950 1.6820 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 3.3780 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 2.3440 -2.9620 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4440 8.2220 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 8.9910 1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 7.5820 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 1.4850 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 3.5800 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 3.2380 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 0.5570 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 0.9040 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -0.1180 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 1.2510 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.0280 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -0.9260 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 3.0210 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 2.9520 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 4.3150 -1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 2 0 0 0 0 M CHG 1 27 -1 M END